dimethyl 4-[4-acetamido-2-[(3-nitrophenyl)carbonylamino]phenoxy]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[4-acetamido-2-[(3-nitrophenyl)carbonylamino]phenoxy]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[4-acetamido-2-[(3-nitrobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate CAS Name: 4-[4-acetamido-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-acetamido-2-[(3-nitrobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate Traditional Name: 4-[4-acetamido-2-[(3-nitrobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C25H21N3O9 MolecularWeight: 507.44894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC2=CC(=C(C=C2)C(=O)OC)C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC2=CC(=C(C=C2)C(=O)OC)C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O9/c1-14(29)26-16-7-10-22(21(12-16)27-23(30)15-5-4-6-17(11-15)28(33)34)37-18-8-9-19(24(31)35-2)20(13-18)25(32)36-3/h4-13H,1-3H3,(H,26,29)(H,27,30)